CdGaSe2
CdGaSe2 is a thermodynamically stable semiconducting compound characterized by a diverse range of reported structural configurations.
About CdGaSe2
CdGaSe2 is a thermodynamically stable inorganic compound that exists on the convex hull, indicating robust structural integrity. As a semiconducting material, it possesses electronic properties that make it a subject of interest for researchers investigating complex chalcogenide systems.
With numerous reported structures across multiple databases, this compound demonstrates significant structural diversity. Its stability and electronic character suggest potential utility in specialized optoelectronic or semiconductor applications where precise material control is required.
Key Properties
Cross-validated computational properties for CdGaSe2, aggregated across 4 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for CdGaSe2, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| I-4 (No. 82) | tetragonal | 1.35 | 0.0000 | -3.885 | 5.41 |
| I-4m2 (No. 119) | tetragonal | 0.00 | 0.3090 | -3.576 | 5.95 |
| — | — | — | — | — | 4.68 |
| — | — | — | — | — | 6.52 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.50 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.22 |
| I4/mmm (No. 139) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 5.25 |
| — | — | — | — | — | 4.68 |
| — | — | — | — | — | 4.68 |
| — | — | — | — | — | 4.68 |
Applications
Where CdGaSe2 is used.
Frequently Asked Questions
Common questions about CdGaSe2, answered from cross-validated data.
What is CdGaSe2?
CdGaSe2 is a thermodynamically stable semiconducting compound characterized by a diverse range of reported structural configurations.
What is CdGaSe2 used for?
What is the band gap of CdGaSe2?
Is CdGaSe2 a metal, semiconductor, or insulator?
Is CdGaSe2 thermodynamically stable?
What is the crystal structure of CdGaSe2?
What is the density of CdGaSe2?
How many polymorphs of CdGaSe2 are known?
What elements does CdGaSe2 contain?
Where does the data for CdGaSe2 come from?
How It Compares
As a member of the broader class of ternary chalcogenides, CdGaSe2 occupies a distinct position due to its proven thermodynamic stability. While many related materials in this category face challenges regarding phase persistence, this compound remains a reliable subject for fundamental study and potential integration into electronic device architectures.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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